General Information of the Compound
| Compound ID |
CP0550245
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| Compound Name |
(5R,10aS)-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7,8-dihydroxy-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
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| Structure |
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| Formula |
C24H18F2N2O4
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| Molecular Weight |
436.414
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| Canonical SMILES |
Oc1cc2C[C@@H]3N([C@H](c4ccc(F)cc4)c2cc1O)C(=O)N(Cc1ccc(F)cc1)C3=O
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| InChI |
InChI=1S/C24H18F2N2O4/c25-16-5-1-13(2-6-16)12-27-23(31)19-9-15-10-20(29)21(30)11-18(15)22(28(19)24(27)32)14-3-7-17(26)8-4-14/h1-8,10-11,19,22,29-30H,9,12H2/t19-,22+/m0/s1
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| InChIKey |
KFGXXWKCQJYWTB-SIKLNZKXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound